General Information of the Compound
| Compound ID |
CP0446433
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| Compound Name |
N-[4-[3-(aminomethyl)phenyl]-3-cyano-6-(2-hydroxyphenyl)pyridin-2-yl]thiophene-2-carboxamide
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| Structure |
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| Formula |
C24H18N4O2S
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| Molecular Weight |
426.501
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| Canonical SMILES |
NCc1cccc(c1)-c1cc(nc(NC(=O)c2cccs2)c1C#N)-c1ccccc1O
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| InChI |
InChI=1S/C24H18N4O2S/c25-13-15-5-3-6-16(11-15)18-12-20(17-7-1-2-8-21(17)29)27-23(19(18)14-26)28-24(30)22-9-4-10-31-22/h1-12,29H,13,25H2,(H,27,28,30)
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| InChIKey |
FYLPUWQBUILPLZ-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound